Geometry & MOs

Info

ID:	137209
PubChem CID:	52170412
Reduced:	NOSH6C9 (2)
Stoich.:	ABCD6E9 (2)
Weight, g/mol:	363.215806
ΔH_f, kcal/mol:	39.57
Dipole, Da:	0.98
IP(EA), eV:	-9.14(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[[2-(4-nitrophenyl)ethylamino]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)C(=O)OCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations